| Chain sequence(s) |
A: QVQLVQSGAEVKKPGASVKVSCKASGLTIEDYYMHWVRQAPGQGLEWMGWIDPENGDTEYGPKFQGRVTMTRDTSINTAYMELSRLRSDDTAVYYCAVHNAHYGTWFAYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCGGGGSGGGGSGLPTSNPAQELEARQLGRTTRDDLINGNSASCADVIFIYARGSTETGNLGTLGPSIASNLESAFGKDGVWIQGVGGAYRATLGDNALPRGTSSAAIREMLGLFQQANTKCPDATLIAGGYSQGAALAAASIEDLDSAIRDKIAGTVLFGYTKNLQNRGRIPNYPADRTKVFCNTGDLVCTGSLIVAAPHLAYGPDARGPAPEFLIEKVRAVRGSA
B: DVVMTQSPLSLPVTLGQPASISCRSSQSLLHSSGNTYLEWYQQRPGQSPRPLIYKISTRFSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCFQGSHVPYTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:09:48)
[INFO] Main: Simulation completed successfully. (00:09:54)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | Q | A | -1.6334 | |
| 2 | V | A | -0.6292 | |
| 3 | Q | A | -0.4955 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | -0.0972 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.4982 | |
| 8 | G | A | -0.8364 | |
| 9 | A | A | -0.7458 | |
| 10 | E | A | -1.1622 | |
| 11 | V | A | -0.6704 | |
| 12 | K | A | -1.5988 | |
| 13 | K | A | -2.5523 | |
| 14 | P | A | -2.3894 | |
| 15 | G | A | -1.9965 | |
| 16 | A | A | -1.5898 | |
| 17 | S | A | -1.6753 | |
| 18 | V | A | 0.0000 | |
| 19 | K | A | -1.8278 | |
| 20 | V | A | 0.0000 | |
| 21 | S | A | -0.5418 | |
| 22 | C | A | 0.0000 | |
| 23 | K | A | -0.3869 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -0.8543 | |
| 26 | G | A | -0.7985 | |
| 27 | L | A | -0.7142 | |
| 28 | T | A | -0.9635 | |
| 29 | I | A | 0.0000 | |
| 30 | E | A | -2.8199 | |
| 31 | D | A | -2.6194 | |
| 32 | Y | A | -1.3147 | |
| 33 | Y | A | -0.6874 | |
| 34 | M | A | 0.0000 | |
| 35 | H | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | -0.5949 | |
| 40 | A | A | -0.9879 | |
| 41 | P | A | -0.9938 | |
| 42 | G | A | -1.2123 | |
| 43 | Q | A | -1.7332 | |
| 44 | G | A | -1.1037 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -0.6647 | |
| 47 | W | A | 0.0000 | |
| 48 | M | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | W | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | D | A | -2.2438 | |
| 53 | P | A | 0.0000 | |
| 54 | E | A | -3.6774 | |
| 55 | N | A | -3.0188 | |
| 56 | G | A | -2.4980 | |
| 57 | D | A | -2.6989 | |
| 58 | T | A | -1.3765 | |
| 59 | E | A | -0.9932 | |
| 60 | Y | A | -0.7231 | |
| 61 | G | A | 0.0000 | |
| 62 | P | A | -1.6149 | |
| 63 | K | A | -2.2401 | |
| 64 | F | A | 0.0000 | |
| 65 | Q | A | -2.1277 | |
| 66 | G | A | -1.6505 | |
| 67 | R | A | -1.6785 | |
| 68 | V | A | 0.0000 | |
| 69 | T | A | -0.7800 | |
| 70 | M | A | 0.0000 | |
| 71 | T | A | -0.8087 | |
| 72 | R | A | -1.4798 | |
| 73 | D | A | -1.0987 | |
| 74 | T | A | -0.9383 | |
| 75 | S | A | 0.0294 | |
| 76 | I | A | 0.7002 | |
| 77 | N | A | -0.2980 | |
| 78 | T | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | Y | A | -0.6880 | |
| 81 | M | A | 0.0000 | |
| 82 | E | A | -1.2147 | |
| 83 | L | A | 0.0000 | |
| 84 | S | A | -1.7822 | |
| 85 | R | A | -2.7293 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -3.3743 | |
| 88 | S | A | -2.3231 | |
| 89 | D | A | -2.5325 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.9705 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.2058 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | V | A | 0.0000 | |
| 99 | H | A | 0.0000 | |
| 100 | N | A | -0.3515 | |
| 101 | A | A | -0.4069 | |
| 102 | H | A | -0.7404 | |
| 103 | Y | A | 0.3858 | |
| 104 | G | A | 0.0507 | |
| 105 | T | A | 0.0000 | |
| 106 | W | A | 0.2762 | |
| 107 | F | A | 0.0000 | |
| 108 | A | A | 0.0226 | |
| 109 | Y | A | 0.1035 | |
| 110 | W | A | -0.1594 | |
| 111 | G | A | 0.0000 | |
| 112 | Q | A | -1.2679 | |
| 113 | G | A | -0.5534 | |
| 114 | T | A | 0.0000 | |
| 115 | L | A | -0.0633 | |
| 116 | V | A | 0.0000 | |
| 117 | T | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | S | A | -1.1710 | |
| 120 | S | A | -0.9476 | |
| 121 | A | A | -0.5933 | |
| 122 | S | A | -0.6637 | |
| 123 | T | A | -0.8069 | |
| 124 | K | A | -1.1432 | |
| 125 | G | A | -1.1274 | |
| 126 | P | A | 0.0000 | |
| 127 | S | A | -0.3620 | |
| 128 | V | A | 0.0000 | |
| 129 | F | A | 0.0000 | |
| 130 | P | A | -1.1905 | |
| 131 | L | A | 0.0000 | |
| 132 | A | A | -1.2610 | |
| 133 | P | A | 0.0000 | |
| 134 | S | A | -0.8899 | |
| 135 | S | A | -0.5398 | |
| 136 | K | A | -0.9693 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | -0.6700 | |
| 139 | S | A | -0.6947 | |
| 140 | G | A | -0.7989 | |
| 141 | G | A | -0.8664 | |
| 142 | T | A | -0.6081 | |
| 143 | A | A | 0.0000 | |
| 144 | A | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | G | A | 0.0000 | |
| 147 | C | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | K | A | 0.0000 | |
| 151 | D | A | -0.3259 | |
| 152 | Y | A | 0.0000 | |
| 153 | F | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | E | A | -0.4054 | |
| 156 | P | A | -0.6285 | |
| 157 | V | A | -0.4647 | |
| 158 | T | A | -0.3986 | |
| 159 | V | A | -0.0385 | |
| 160 | S | A | 0.0084 | |
| 161 | W | A | 0.0000 | |
| 162 | N | A | -0.4066 | |
| 163 | S | A | -0.0894 | |
| 164 | G | A | 0.0000 | |
| 165 | A | A | -0.0701 | |
| 166 | L | A | 0.1599 | |
| 167 | T | A | -0.0058 | |
| 168 | S | A | -0.2092 | |
| 169 | G | A | -0.1491 | |
| 170 | V | A | 0.2208 | |
| 171 | H | A | -0.2778 | |
| 172 | T | A | 0.0418 | |
| 173 | F | A | 0.0000 | |
| 174 | P | A | -0.3105 | |
| 175 | A | A | 0.2835 | |
| 176 | V | A | 0.5565 | |
| 177 | L | A | 1.2293 | |
| 178 | Q | A | 0.3212 | |
| 179 | S | A | -0.0524 | |
| 180 | S | A | -0.1970 | |
| 181 | G | A | 0.0534 | |
| 182 | L | A | 0.1725 | |
| 183 | Y | A | 0.5123 | |
| 184 | S | A | 0.0000 | |
| 185 | L | A | 0.0000 | |
| 186 | S | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | T | A | -0.1174 | |
| 191 | V | A | 0.0000 | |
| 192 | P | A | -0.6138 | |
| 193 | S | A | -0.5706 | |
| 194 | S | A | -0.5848 | |
| 195 | S | A | -0.5739 | |
| 196 | L | A | -0.7964 | |
| 197 | G | A | -0.9606 | |
| 198 | T | A | -0.6903 | |
| 199 | Q | A | -1.1983 | |
| 200 | T | A | -1.1146 | |
| 201 | Y | A | 0.0000 | |
| 202 | I | A | -0.9243 | |
| 203 | C | A | 0.0000 | |
| 204 | N | A | -0.7231 | |
| 205 | V | A | 0.0000 | |
| 206 | N | A | -1.4675 | |
| 207 | H | A | 0.0000 | |
| 208 | K | A | -2.7740 | |
| 209 | P | A | -1.6862 | |
| 210 | S | A | -1.6861 | |
| 211 | N | A | -2.4329 | |
| 212 | T | A | -1.5375 | |
| 213 | K | A | -1.4738 | |
| 214 | V | A | -0.5417 | |
| 215 | D | A | -1.2046 | |
| 216 | K | A | -1.5335 | |
| 217 | K | A | -2.0506 | |
| 218 | V | A | 0.0000 | |
| 219 | E | A | -2.8030 | |
| 220 | P | A | -1.7626 | |
| 221 | K | A | -2.1690 | |
| 222 | S | A | -1.1083 | |
| 223 | C | A | -0.3826 | |
| 224 | G | A | -0.7571 | |
| 225 | G | A | -0.9226 | |
| 226 | G | A | -1.1063 | |
| 227 | G | A | -1.2006 | |
| 228 | S | A | -1.0452 | |
| 229 | G | A | -1.1940 | |
| 230 | G | A | -1.2017 | |
| 231 | G | A | -1.1993 | |
| 232 | G | A | -0.9287 | |
| 233 | S | A | -0.4603 | |
| 234 | G | A | -0.2232 | |
| 235 | L | A | 0.9249 | |
| 236 | P | A | -0.0849 | |
| 237 | T | A | -0.4765 | |
| 238 | S | A | -0.8688 | |
| 239 | N | A | -1.8458 | |
| 240 | P | A | -0.7515 | |
| 241 | A | A | -0.8735 | |
| 242 | Q | A | -1.5910 | |
| 243 | E | A | -2.3485 | |
| 244 | L | A | -1.6227 | |
| 245 | E | A | -2.7163 | |
| 246 | A | A | -1.8301 | |
| 247 | R | A | -1.2749 | |
| 248 | Q | A | -1.4975 | |
| 249 | L | A | 0.2052 | |
| 250 | G | A | 0.0000 | |
| 251 | R | A | -1.8262 | |
| 252 | T | A | -0.9334 | |
| 253 | T | A | -0.9368 | |
| 254 | R | A | -0.7026 | |
| 255 | D | A | -0.5993 | |
| 256 | D | A | -0.7394 | |
| 257 | L | A | 0.0000 | |
| 258 | I | A | 0.3130 | |
| 259 | N | A | -1.1470 | |
| 260 | G | A | -1.0779 | |
| 261 | N | A | -1.5676 | |
| 262 | S | A | -1.0927 | |
| 263 | A | A | -0.5548 | |
| 264 | S | A | -0.9976 | |
| 265 | C | A | -1.2278 | |
| 266 | A | A | 0.0000 | |
| 267 | D | A | -2.1496 | |
| 268 | V | A | 0.0000 | |
| 269 | I | A | 0.0000 | |
| 270 | F | A | 0.0000 | |
| 271 | I | A | 0.0000 | |
| 272 | Y | A | 0.0000 | |
| 273 | A | A | 0.0000 | |
| 274 | R | A | 0.0000 | |
| 275 | G | A | 0.0000 | |
| 276 | S | A | 0.0000 | |
| 277 | T | A | -1.2893 | |
| 278 | E | A | 0.0000 | |
| 279 | T | A | -1.2739 | |
| 280 | G | A | -1.0331 | |
| 281 | N | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | G | A | 0.0000 | |
| 284 | T | A | -0.1360 | |
| 285 | L | A | 0.0000 | |
| 286 | G | A | 0.0000 | |
| 287 | P | A | -0.7067 | |
| 288 | S | A | -0.8918 | |
| 289 | I | A | 0.0000 | |
| 290 | A | A | 0.0000 | |
| 291 | S | A | -0.9878 | |
| 292 | N | A | -1.2311 | |
| 293 | L | A | 0.0000 | |
| 294 | E | A | 0.0000 | |
| 295 | S | A | -0.7075 | |
| 296 | A | A | -0.5233 | |
| 297 | F | A | -0.8248 | |
| 298 | G | A | -1.5509 | |
| 299 | K | A | -2.6336 | |
| 300 | D | A | -2.8189 | |
| 301 | G | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | W | A | -0.9565 | |
| 304 | I | A | 0.0000 | |
| 305 | Q | A | 0.0000 | |
| 306 | G | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | G | A | -0.9031 | |
| 309 | G | A | -0.9621 | |
| 310 | A | A | -1.2173 | |
| 311 | Y | A | 0.0000 | |
| 312 | R | A | -1.9081 | |
| 313 | A | A | 0.0000 | |
| 314 | T | A | -0.9091 | |
| 315 | L | A | -0.8190 | |
| 316 | G | A | -0.4353 | |
| 317 | D | A | -0.3514 | |
| 318 | N | A | 0.0000 | |
| 319 | A | A | 0.0354 | |
| 320 | L | A | 0.4109 | |
| 321 | P | A | 0.1182 | |
| 322 | R | A | -0.1524 | |
| 323 | G | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | S | A | -0.6195 | |
| 326 | S | A | -0.7869 | |
| 327 | A | A | -1.0961 | |
| 328 | A | A | 0.0000 | |
| 329 | I | A | 0.0000 | |
| 330 | R | A | -2.3411 | |
| 331 | E | A | -1.6668 | |
| 332 | M | A | 0.0000 | |
| 333 | L | A | -1.6434 | |
| 334 | G | A | -1.2769 | |
| 335 | L | A | 0.0000 | |
| 336 | F | A | 0.0000 | |
| 337 | Q | A | -1.6149 | |
| 338 | Q | A | -0.8483 | |
| 339 | A | A | 0.0000 | |
| 340 | N | A | -1.3541 | |
| 341 | T | A | -1.0619 | |
| 342 | K | A | -1.1082 | |
| 343 | C | A | 0.0000 | |
| 344 | P | A | -1.6750 | |
| 345 | D | A | -2.3272 | |
| 346 | A | A | 0.0000 | |
| 347 | T | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | I | A | 0.0000 | |
| 350 | A | A | 0.0000 | |
| 351 | G | A | 0.0000 | |
| 352 | G | A | 0.0000 | |
| 353 | Y | A | 0.0000 | |
| 354 | S | A | 0.0000 | |
| 355 | Q | A | 0.0000 | |
| 356 | G | A | 0.0000 | |
| 357 | A | A | 0.0000 | |
| 358 | A | A | 0.0000 | |
| 359 | L | A | 0.0000 | |
| 360 | A | A | 0.0000 | |
| 361 | A | A | 0.0000 | |
| 362 | A | A | 0.0000 | |
| 363 | S | A | 0.0000 | |
| 364 | I | A | 0.0000 | |
| 365 | E | A | -2.2770 | |
| 366 | D | A | -2.9728 | |
| 367 | L | A | 0.0000 | |
| 368 | D | A | -2.7522 | |
| 369 | S | A | -2.1434 | |
| 370 | A | A | -1.3070 | |
| 371 | I | A | 0.0000 | |
| 372 | R | A | 0.0000 | |
| 373 | D | A | -2.3201 | |
| 374 | K | A | -1.4350 | |
| 375 | I | A | 0.0000 | |
| 376 | A | A | 0.0000 | |
| 377 | G | A | 0.0000 | |
| 378 | T | A | 0.0000 | |
| 379 | V | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | F | A | 0.0000 | |
| 382 | G | A | 0.0000 | |
| 383 | Y | A | 0.0000 | |
| 384 | T | A | 0.0000 | |
| 385 | K | A | 0.0000 | |
| 386 | N | A | -0.8259 | |
| 387 | L | A | -0.4796 | |
| 388 | Q | A | -0.8574 | |
| 389 | N | A | -1.7237 | |
| 390 | R | A | -2.3433 | |
| 391 | G | A | -1.6298 | |
| 392 | R | A | -2.6378 | |
| 393 | I | A | 0.0000 | |
| 394 | P | A | -1.8740 | |
| 395 | N | A | -2.0707 | |
| 396 | Y | A | 0.0000 | |
| 397 | P | A | -1.5634 | |
| 398 | A | A | -1.6482 | |
| 399 | D | A | -2.3091 | |
| 400 | R | A | -1.6006 | |
| 401 | T | A | -1.2863 | |
| 402 | K | A | -0.8930 | |
| 403 | V | A | -0.1312 | |
| 404 | F | A | 0.0000 | |
| 405 | C | A | 0.0795 | |
| 406 | N | A | -0.1661 | |
| 407 | T | A | -0.3162 | |
| 408 | G | A | -0.3481 | |
| 409 | D | A | 0.0000 | |
| 410 | L | A | 0.6841 | |
| 411 | V | A | 0.0000 | |
| 412 | C | A | 0.0000 | |
| 413 | T | A | 0.1353 | |
| 414 | G | A | 0.2192 | |
| 415 | S | A | 0.1242 | |
| 416 | L | A | 0.0193 | |
| 417 | I | A | 0.2026 | |
| 418 | V | A | 0.0582 | |
| 419 | A | A | 0.4431 | |
| 420 | A | A | 0.3518 | |
| 421 | P | A | 0.1625 | |
| 422 | H | A | 0.0000 | |
| 423 | L | A | 0.7324 | |
| 424 | A | A | 0.2739 | |
| 425 | Y | A | 0.0000 | |
| 426 | G | A | -0.6057 | |
| 427 | P | A | -1.0709 | |
| 428 | D | A | -1.2476 | |
| 429 | A | A | 0.0000 | |
| 430 | R | A | -2.4667 | |
| 431 | G | A | -1.7050 | |
| 432 | P | A | -1.2789 | |
| 433 | A | A | 0.0000 | |
| 434 | P | A | 0.0000 | |
| 435 | E | A | -2.5688 | |
| 436 | F | A | -1.5139 | |
| 437 | L | A | 0.0000 | |
| 438 | I | A | -1.4452 | |
| 439 | E | A | -2.2360 | |
| 440 | K | A | -1.4922 | |
| 441 | V | A | 0.0000 | |
| 442 | R | A | -0.8556 | |
| 443 | A | A | -0.2307 | |
| 444 | V | A | 0.7841 | |
| 445 | R | A | -0.4955 | |
| 446 | G | A | -0.6246 | |
| 447 | S | A | -0.5938 | |
| 448 | A | A | -0.3145 | |
| 1 | D | B | -1.3080 | |
| 2 | V | B | 0.0000 | |
| 3 | V | B | 0.6864 | |
| 4 | M | B | 0.0000 | |
| 5 | T | B | -0.3939 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.1826 | |
| 8 | P | B | 0.3690 | |
| 9 | L | B | 1.1269 | |
| 10 | S | B | 0.1877 | |
| 11 | L | B | -0.0924 | |
| 12 | P | B | -0.6960 | |
| 13 | V | B | 0.0000 | |
| 14 | T | B | -0.9617 | |
| 15 | L | B | -0.6794 | |
| 16 | G | B | -1.2164 | |
| 17 | Q | B | -1.4931 | |
| 18 | P | B | -1.7148 | |
| 19 | A | B | 0.0000 | |
| 20 | S | B | -0.7884 | |
| 21 | I | B | 0.0000 | |
| 22 | S | B | -0.9054 | |
| 23 | C | B | 0.0000 | |
| 24 | R | B | -2.2959 | |
| 25 | S | B | 0.0000 | |
| 26 | S | B | -0.9994 | |
| 27 | Q | B | -1.4986 | |
| 28 | S | B | -0.8228 | |
| 29 | L | B | 0.0000 | |
| 30 | L | B | 0.7839 | |
| 31 | H | B | -0.1057 | |
| 32 | S | B | -0.3566 | |
| 33 | S | B | -0.5078 | |
| 34 | G | B | -0.5147 | |
| 35 | N | B | -0.4283 | |
| 36 | T | B | 0.0429 | |
| 37 | Y | B | 0.1612 | |
| 38 | L | B | 0.0000 | |
| 39 | E | B | 0.0000 | |
| 40 | W | B | 0.0000 | |
| 41 | Y | B | 0.0000 | |
| 42 | Q | B | 0.0000 | |
| 43 | Q | B | 0.0000 | |
| 44 | R | B | -1.8083 | |
| 45 | P | B | -1.4705 | |
| 46 | G | B | -1.5780 | |
| 47 | Q | B | -1.9600 | |
| 48 | S | B | -1.3575 | |
| 49 | P | B | 0.0000 | |
| 50 | R | B | -1.4405 | |
| 51 | P | B | 0.0000 | |
| 52 | L | B | 0.0000 | |
| 53 | I | B | 0.0000 | |
| 54 | Y | B | -0.1564 | |
| 55 | K | B | -0.4546 | |
| 56 | I | B | -0.3664 | |
| 57 | S | B | -0.5664 | |
| 58 | T | B | -0.6949 | |
| 59 | R | B | -1.5039 | |
| 60 | F | B | 0.0000 | |
| 61 | S | B | -0.6441 | |
| 62 | G | B | -0.8780 | |
| 63 | V | B | -1.0076 | |
| 64 | P | B | -1.2679 | |
| 65 | D | B | -2.3815 | |
| 66 | R | B | -2.1117 | |
| 67 | F | B | 0.0000 | |
| 68 | S | B | -1.3269 | |
| 69 | G | B | 0.0000 | |
| 70 | S | B | -0.8122 | |
| 71 | G | B | -0.9706 | |
| 72 | S | B | -0.6365 | |
| 73 | G | B | -0.6339 | |
| 74 | T | B | -1.4294 | |
| 75 | D | B | -2.0857 | |
| 76 | F | B | 0.0000 | |
| 77 | T | B | -1.0702 | |
| 78 | L | B | 0.0000 | |
| 79 | K | B | -1.8978 | |
| 80 | I | B | 0.0000 | |
| 81 | S | B | -2.2239 | |
| 82 | R | B | -2.8782 | |
| 83 | V | B | 0.0000 | |
| 84 | E | B | -2.2234 | |
| 85 | A | B | -1.9370 | |
| 86 | E | B | -2.1556 | |
| 87 | D | B | 0.0000 | |
| 88 | V | B | 0.0000 | |
| 89 | G | B | 0.0000 | |
| 90 | V | B | -0.2158 | |
| 91 | Y | B | 0.0000 | |
| 92 | Y | B | 0.0000 | |
| 93 | C | B | 0.0000 | |
| 94 | F | B | 0.0000 | |
| 95 | Q | B | 0.0000 | |
| 96 | G | B | 0.0000 | |
| 97 | S | B | 0.0000 | |
| 98 | H | B | -0.0046 | |
| 99 | V | B | 0.7359 | |
| 100 | P | B | -0.0696 | |
| 101 | Y | B | 0.3941 | |
| 102 | T | B | 0.1302 | |
| 103 | F | B | 0.0000 | |
| 104 | G | B | 0.0000 | |
| 105 | G | B | -0.3865 | |
| 106 | G | B | 0.0000 | |
| 107 | T | B | 0.0000 | |
| 108 | K | B | -0.6469 | |
| 109 | V | B | 0.0000 | |
| 110 | E | B | -1.1492 | |
| 111 | I | B | 0.0000 | |
| 112 | K | B | -1.1562 | |
| 113 | R | B | -0.7901 | |
| 114 | T | B | -0.0922 | |
| 115 | V | B | 0.2197 | |
| 116 | A | B | -0.0503 | |
| 117 | A | B | -0.1047 | |
| 118 | P | B | 0.0000 | |
| 119 | S | B | -0.2023 | |
| 120 | V | B | 0.0000 | |
| 121 | F | B | 0.0000 | |
| 122 | I | B | 0.0000 | |
| 123 | F | B | 0.0000 | |
| 124 | P | B | -0.6639 | |
| 125 | P | B | 0.0000 | |
| 126 | S | B | -1.6669 | |
| 127 | D | B | -2.9126 | |
| 128 | E | B | -2.5878 | |
| 129 | Q | B | 0.0000 | |
| 130 | L | B | -2.1847 | |
| 131 | K | B | -2.7324 | |
| 132 | S | B | -1.6951 | |
| 133 | G | B | -1.2159 | |
| 134 | T | B | -0.9199 | |
| 135 | A | B | 0.0000 | |
| 136 | S | B | 0.0000 | |
| 137 | V | B | 0.0000 | |
| 138 | V | B | 0.0000 | |
| 139 | C | B | 0.0000 | |
| 140 | L | B | 0.0000 | |
| 141 | L | B | 0.0000 | |
| 142 | N | B | 0.0000 | |
| 143 | N | B | -0.7526 | |
| 144 | F | B | 0.0000 | |
| 145 | Y | B | -1.0266 | |
| 146 | P | B | -1.6176 | |
| 147 | R | B | -2.9154 | |
| 148 | E | B | -3.1341 | |
| 149 | A | B | -2.2133 | |
| 150 | K | B | -2.2859 | |
| 151 | V | B | -1.0491 | |
| 152 | Q | B | -0.7045 | |
| 153 | W | B | 0.0000 | |
| 154 | K | B | -0.5262 | |
| 155 | V | B | 0.0000 | |
| 156 | D | B | -1.9233 | |
| 157 | N | B | -1.5118 | |
| 158 | A | B | -0.2540 | |
| 159 | L | B | 0.6633 | |
| 160 | Q | B | -0.3317 | |
| 161 | S | B | -0.6667 | |
| 162 | G | B | -1.2498 | |
| 163 | N | B | -1.5404 | |
| 164 | S | B | -1.3949 | |
| 165 | Q | B | -1.3167 | |
| 166 | E | B | -1.5084 | |
| 167 | S | B | -0.8350 | |
| 168 | V | B | -0.7899 | |
| 169 | T | B | -1.1794 | |
| 170 | E | B | -2.3629 | |
| 171 | Q | B | 0.0000 | |
| 172 | D | B | -2.0045 | |
| 173 | S | B | -2.2677 | |
| 174 | K | B | -2.6025 | |
| 175 | D | B | -1.7605 | |
| 176 | S | B | 0.0000 | |
| 177 | T | B | 0.0000 | |
| 178 | Y | B | 0.0000 | |
| 179 | S | B | 0.0000 | |
| 180 | L | B | 0.0000 | |
| 181 | S | B | 0.0000 | |
| 182 | S | B | 0.0000 | |
| 183 | T | B | -0.6601 | |
| 184 | L | B | 0.0000 | |
| 185 | T | B | -0.5856 | |
| 186 | L | B | -0.7101 | |
| 187 | S | B | -0.9062 | |
| 188 | K | B | -1.9138 | |
| 189 | A | B | -1.6997 | |
| 190 | D | B | -2.1796 | |
| 191 | Y | B | 0.0000 | |
| 192 | E | B | -3.4497 | |
| 193 | K | B | -3.5316 | |
| 194 | H | B | -2.9537 | |
| 195 | K | B | -3.2664 | |
| 196 | V | B | -1.4285 | |
| 197 | Y | B | 0.0000 | |
| 198 | A | B | 0.0000 | |
| 199 | C | B | 0.0000 | |
| 200 | E | B | -0.6595 | |
| 201 | V | B | 0.0000 | |
| 202 | T | B | -1.1510 | |
| 203 | H | B | 0.0000 | |
| 204 | Q | B | -1.7483 | |
| 205 | G | B | -0.4530 | |
| 206 | L | B | -0.2491 | |
| 207 | S | B | -0.4501 | |
| 208 | S | B | -0.4021 | |
| 209 | P | B | -0.5283 | |
| 210 | V | B | 0.1074 | |
| 211 | T | B | -0.3781 | |
| 212 | K | B | -0.7591 | |
| 213 | S | B | -0.6301 | |
| 214 | F | B | 0.0000 | |
| 215 | N | B | -1.7512 | |
| 216 | R | B | -2.3811 | |
| 217 | G | B | -1.8502 | |
| 218 | E | B | -2.0276 | |
| 219 | C | B | -0.7863 |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine